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207497-61-8 | L-Glutamic acid, 4-(2-naphthalenylmethyl)-, (4S)-
CAS No: 207497-61-8 Catalog No: AG002J3B MDL No:
Product Description
Catalog Number:
AG002J3B
Chemical Name:
L-Glutamic acid, 4-(2-naphthalenylmethyl)-, (4S)-
CAS Number:
207497-61-8
Molecular Formula:
C16H17NO4
Molecular Weight:
287.3105
IUPAC Name:
(2S,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid
InChI:
InChI=1S/C16H17NO4/c17-14(16(20)21)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9,17H2,(H,18,19)(H,20,21)/t13-,14-/m0/s1
InChI Key:
YDWIUFASTTZKNI-KBPBESRZSA-N
SMILES:
OC(=O)[C@H](C[C@@H](C(=O)O)N)Cc1ccc2c(c1)cccc2
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
287.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
287.315g/mol
Monoisotopic Mass:
287.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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